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enviPath

@enviPath

Mastodon: https://xitter.gq/t.co/EQ8izRQ4Jh / @envipath@mstdn.science

 Mainz, Germany
envipath.com
Joined August 2015
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  • Followers47
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Photo by enviPath (@enviPath)Photo by enviPath (@enviPath)Photo by enviPath (@enviPath)Photo by enviPath (@enviPath)Photo by enviPath (@enviPath)Photo by enviPath (@enviPath)Photo by enviPath (@enviPath)Photo by enviPath (@enviPath)
Replying to @enviPath
It was great to be there (so many familiar faces) - here's the link to our slides with @pubchem & @lcs doi.org/10.5281/zenodo.81438…
Image from Emma Schymanski (@ESchymanski)
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Just presented this overview at the @enviPath workshop on behalf of Tiejun, @EvanBolton and @pubchem and LCSB-ECI teams. #OpenScience #cheminformatics @lcsb_uni_lu @FnrLux @ZeroPM_H2020 Reaction Data in @pubchem Slides: zenodo.org/record/8143832 Sneak peek (lots of hyperlinks):
Image from Emma Schymanski (@ESchymanski)
Image from Emma Schymanski (@ESchymanski)
Image from Emma Schymanski (@ESchymanski)
Image from Emma Schymanski (@ESchymanski)
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new: "Combatting over-specialization bias in growing chemical databases" jcheminf.biomedcentral.com/a…
Fig. 2: Comparison of the Gaussians fitted to a biased dataset.

ALT Fig. 2: Comparison of the Gaussians fitted to a biased dataset.

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Application deadline approaching for two positions to further develop @enviPath, our internationally unique online resource on contaminant biotransformation. Assistant in chemical data science: tinyurl.com/mbbuaxn7 Postdoc in Computational Metabolomics: tinyurl.com/5h8k9w5c
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Announcing two positions to make @enviPath THE ORD resource on contaminant biotransformation, to be filled ASAP, at @UZH & @EawagResearch. Research assistant in chemical data science: tinyurl.com/mbbuaxn7 Postdoc in Computational Metabolomics: tinyurl.com/5h8k9w5c
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Our paper on the holistic evaluation of predicted biodegradation/metabolism pathways with our partners @enviPath @MLAucklandUni appeared in @jcheminf. Dealing with problems like transient intermediates that are missing in the experimental reference data, or multi-step reactions.
Journal of Cheminformatics (@jcheminf) profile pictureJournal of Cheminformatics@jcheminf4 Sep 2021
new: "Holistic evaluation of biodegradation pathway prediction: assessing multi-step reactions and intermediate products" jcheminf.biomedcentral.com/a…
Figure 1: The pathway Benzyl Sulfide from the EAWAG-BBD package.

ALT Figure 1: The pathway Benzyl Sulfide from the EAWAG-BBD package.

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new: "Holistic evaluation of biodegradation pathway prediction: assessing multi-step reactions and intermediate products" jcheminf.biomedcentral.com/a…
Figure 1: The pathway Benzyl Sulfide from the EAWAG-BBD package.

ALT Figure 1: The pathway Benzyl Sulfide from the EAWAG-BBD package.

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A new resource for exploring regulatory pesticide soil biodegradation pathways and half-life data rsc.li/2mkCFcU #QSARs
Image from Environmental Science Journals of the RSC (@EnvSciRSC)
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"Eawag-Soil in enviPath: (...) exploring regulatory pesticide soil biodegradation pathways and half-life data" rsc.li/2kR2ggg
Image from RssEnvironment (@rssenvironment)
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